二甲基烯丙基酮
TL;DR: 二甲基烯丙基酮 (CAS 5837-47-8) is a chemical compound with molecular formula C20H24N2O2S and molecular weight 356.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二甲基烯丙基酮
2-[(3-methylbenzoyl)amino]-N-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: dimethallyl ketone, 1,6-Heptadien-4-one, 2,6-dimethyl-, BIM-0049356.P001, 2-[(3-methylbenzoyl)amino]-N-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-(3-METHYLBENZAMIDO)-N-PROPYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
| Molecular Formula | C20H24N2O2S |
|---|---|
| Molecular Weight | 356.16 g/mol |
| LogP | 4.32742 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.15585 |
| Heavy Atoms | 25 |
| Complexity | 794.989 |
Chemical Identifiers
| CAS Number | 5837-47-8 |
|---|---|
| SMILES | CCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC(=C3)C |
Product Overview
二甲基烯丙基酮 (CAS 5837-47-8), with molecular formula C20H24N2O2S and molecular weight 356.16 g/mol. IUPAC: 2-[(3-methylbenzoyl)amino]-N-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 二甲基烯丙基酮
Property Insights of 二甲基烯丙基酮
The XLogP value of 4.32742 indicates that 二甲基烯丙基酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 二甲基烯丙基酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二甲基烯丙基酮 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 二甲基烯丙基酮?
The CAS number of 二甲基烯丙基酮 is 5837-47-8.
What is the molecular formula of 二甲基烯丙基酮?
The molecular formula of 二甲基烯丙基酮 is C20H24N2O2S.
What is the molecular weight of 二甲基烯丙基酮?
The molecular weight of 二甲基烯丙基酮 is 356.16 g/mol.
Where can I buy 二甲基烯丙基酮?
You can request a quote for 二甲基烯丙基酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二甲基烯丙基酮?
Yes, KEHONG BIO provides custom synthesis services for 二甲基烯丙基酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.